UCSF

ZINC53651322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 9.75 -114.04 3 2 2 21 240.435 6
Hi High (pH 8-9.5) 3.33 7.83 -35.36 2 2 1 20 239.427 6
Mid Mid (pH 6-8) 3.33 8.45 -28.77 2 2 1 16 239.427 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )